1-Butanol → HCID 53980081, compound
Reaction equation
[CH2:46]([OH:47])[CH2:48][CH2:49][CH3:50].[CH3:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19].[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[CH3:20][C:21]([c:22]1[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26][cH:27]1)=[N:32][O:33][c:34]1[c:35]([C:40]([CH:41]=[O:42])=[N:43][O:44][CH3:45])[cH:36][cH:37][cH:38][cH:39]1.[ClH:8].[NH2:9][CH2:10][CH2:11][SH:12]>>[NH:9]1[CH2:10][CH2:11][S:12][CH:41]1[C:40]([c:35]1[c:34]([O:33][N:32]=[C:21]([CH3:20])[c:22]2[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26][cH:27]2)[cH:39][cH:38][cH:37][cH:36]1)=[N:43][O:44][CH3:45]Participants
7
Sources & evidence
- ORD record
- ord-636c097f05ad444db9c66ce65d98b570
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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